N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide

C19H20ClFN4O2 — CID 113113323

IUPACN-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20ClFN4O2/c1-13(26)22-14-2-4-15(5-3-14)23-19(27)25-10-8-24(9-11-25)16-6-7-18(21)17(20)12-16/h2-7,12H,8-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyHKIOMQGEJGMXRA-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.79
Rot. Bonds3

About N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide

N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113113323) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
PubChem CID113113323
Molecular FormulaC19H20ClFN4O2
Molecular Weight390.85 g/mol
Exact Mass390.13
IUPAC NameN-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20ClFN4O2/c1-13(26)22-14-2-4-15(5-3-14)23-19(27)25-10-8-24(9-11-25)16-6-7-18(21)17(20)12-16/h2-7,12H,8-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyHKIOMQGEJGMXRA-UHFFFAOYSA-N
XLogP3.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112138
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide (CID 113113323) is N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide is CC(=O)Nc1ccc(NC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is HKIOMQGEJGMXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c1-13(26)22-14-2-4-15(5-3-14)23-19(27)25-10-8-24(9-11-25)16-6-7-18(21)17(20)12-16/h2-7,12H,8-11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide?
N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).